Optical absorption of small silver clusters: Agn, (n=4-22)

M. Harb; F. Rabilloud; D. Simon; A. Rydlo; S. Lecoultre; F. Conus; V. Rodrigues; C. Félix

doi:10.1063/1.3013557

Optical absorption of small silver clusters: Ag_n, (n=4-22)

M. Harb^*, F. Rabilloud, D. Simon, A. Rydlo, S. Lecoultre, F. Conus, V. Rodrigues, C. Félix

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

216 Scopus citations

Abstract

We present a joint theoretical and experimental investigation of the absorption spectra of silver clusters Agn (4n22). The experimental spectra of clusters isolated in an Ar matrix are compared with the calculated ones in the framework of the time-dependent density functional theory. The analysis of the molecular transitions indicates that the s -electrons are responsible for the optical response of small clusters (n8) while the d -electrons play a crucial role in the optical excitations for larger n values.

Original language	English (US)
Article number	194108
Journal	JOURNAL OF CHEMICAL PHYSICS
Volume	129
Issue number	19
DOIs	https://doi.org/10.1063/1.3013557
State	Published - 2008
Externally published	Yes

Bibliographical note

Funding Information:
The authors (M.H., F.R., and D.S.) thank the Centre Informatique National de l’Enseignement Supérieur (CINES) at Montpellier, France (Contract No. 20070822452) and the Pôle Scientifique de Modélisation Numérique (PSMN) at Lyon, France, for generous allocation of computation time. They also gratefully acknowledge J. Lermé for helpful discussions. The authors from Lausanne thank the Swiss National Science Foundation for financial support.

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1063/1.3013557

Cite this

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title = "Optical absorption of small silver clusters: Agn, (n=4-22)",

abstract = "We present a joint theoretical and experimental investigation of the absorption spectra of silver clusters Agn (4n22). The experimental spectra of clusters isolated in an Ar matrix are compared with the calculated ones in the framework of the time-dependent density functional theory. The analysis of the molecular transitions indicates that the s -electrons are responsible for the optical response of small clusters (n8) while the d -electrons play a crucial role in the optical excitations for larger n values.",

author = "M. Harb and F. Rabilloud and D. Simon and A. Rydlo and S. Lecoultre and F. Conus and V. Rodrigues and C. F{\'e}lix",

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T1 - Optical absorption of small silver clusters

T2 - Agn, (n=4-22)

AU - Harb, M.

AU - Rabilloud, F.

AU - Simon, D.

AU - Rydlo, A.

AU - Lecoultre, S.

AU - Conus, F.

AU - Rodrigues, V.

AU - Félix, C.

N1 - Funding Information: The authors (M.H., F.R., and D.S.) thank the Centre Informatique National de l’Enseignement Supérieur (CINES) at Montpellier, France (Contract No. 20070822452) and the Pôle Scientifique de Modélisation Numérique (PSMN) at Lyon, France, for generous allocation of computation time. They also gratefully acknowledge J. Lermé for helpful discussions. The authors from Lausanne thank the Swiss National Science Foundation for financial support.

PY - 2008

Y1 - 2008

N2 - We present a joint theoretical and experimental investigation of the absorption spectra of silver clusters Agn (4n22). The experimental spectra of clusters isolated in an Ar matrix are compared with the calculated ones in the framework of the time-dependent density functional theory. The analysis of the molecular transitions indicates that the s -electrons are responsible for the optical response of small clusters (n8) while the d -electrons play a crucial role in the optical excitations for larger n values.

AB - We present a joint theoretical and experimental investigation of the absorption spectra of silver clusters Agn (4n22). The experimental spectra of clusters isolated in an Ar matrix are compared with the calculated ones in the framework of the time-dependent density functional theory. The analysis of the molecular transitions indicates that the s -electrons are responsible for the optical response of small clusters (n8) while the d -electrons play a crucial role in the optical excitations for larger n values.

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